EDOTREOTIDE


SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
InChIKey RZHKDBRREKOZEW-AAXZNHDCSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 17
Rotatable bonds 26
Molecular weight (Da) 1420.6

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Human Somatostatin A pIC50 7.85 7.85 7.85 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 6.41 6.41 6.41 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 6.06 6.06 6.06 ChEMBL